4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide

C24H30N2O5 — CID 55691944

IUPAC4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1
InChIInChI=1S/C24H30N2O5/c1-3-30-21-9-4-5-10-22(21)31-16-8-11-23(27)25-18-13-14-20(29-2)19(17-18)26-15-7-6-12-24(26)28/h4-5,9-10,13-14,17H,3,6-8,11-12,15-16H2,1-2H3,(H,25,27)
InChIKeyQAHBPUUDPWKXQT-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.41
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide

4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide (PubChem CID 55691944) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
PubChem CID55691944
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1
InChIInChI=1S/C24H30N2O5/c1-3-30-21-9-4-5-10-22(21)31-16-8-11-23(27)25-18-13-14-20(29-2)19(17-18)26-15-7-6-12-24(26)28/h4-5,9-10,13-14,17H,3,6-8,11-12,15-16H2,1-2H3,(H,25,27)
InChIKeyQAHBPUUDPWKXQT-UHFFFAOYSA-N
XLogP4.41
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 60553812
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 55741827

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide (CID 55691944) is 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide?
The InChIKey is QAHBPUUDPWKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-3-30-21-9-4-5-10-22(21)31-16-8-11-23(27)25-18-13-14-20(29-2)19(17-18)26-15-7-6-12-24(26)28/h4-5,9-10,13-14,17H,3,6-8,11-12,15-16H2,1-2H3,(H,25,27).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide?
4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide has a molecular weight of 426.51 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 55691944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).